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It is becoming increasingly apparent that structure-activity relationships (SARs) are necessary for understanding systems of real atmospheric complexity, and other complex reaction systems. However, before an SAR can be established, a dataset is required that is reliable and extensive enough that it can be trained on a broad range of representative compounds. The aim of this work is to construct a new database that is thoroughly vetted, searchable and downloadable in full for the reactions of volatile organic compounds with OH, Cl, NO3 and O3 . A secondary aim is to recommend only one rate coefficient for a given reaction together with an estimate of its uncertainty. For this purpose, we make use of existing reviews and compendia for many of the reactions of interest, however, it is found that these resources can be of limited scope, and are in need of updating in many cases. We therefore surveyed and included as much additional published kinetic data as possible.The new database contains kinetic information for ~1700 compounds, with temperature-dependent parameters available for ~800 reactions. It is the largest reviewed compilation of oxidation rate coefficients known to these authors, and allows us to begin to assess the state-of-the-knowledge for gas-phase reactivity in atmospheric science. Although this database is already extensive, it is intended that it can be maintained and upgraded in the future. It is expected that this database will be of interest to developers of SARs and chemical modellers who require copious kinetic information. It will likewise be of interest to experimentalists who wish to know if a reaction has been studied previously and if so, to compare their results with what is available in the literature |
